7-bromo-5-methylidene-3,4-dihydro-2H-1,4-benzoxazepine

C10H10BrNO — CID 144504371

IUPAC7-bromo-5-methylidene-3,4-dihydro-2H-1,4-benzoxazepine
SMILESC=C1NCCOc2ccc(Br)cc21
InChIInChI=1S/C10H10BrNO/c1-7-9-6-8(11)2-3-10(9)13-5-4-12-7/h2-3,6,12H,1,4-5H2
InChIKeyVWOKVDFLRSQFQE-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.40
Rot. Bonds

About 7-bromo-5-methylidene-3,4-dihydro-2H-1,4-benzoxazepine

7-bromo-5-methylidene-3,4-dihydro-2H-1,4-benzoxazepine (PubChem CID 144504371) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 7-bromo-5-methylidene-3,4-dihydro-2H-1,4-benzoxazepine.

Molecular Properties

Compound Name7-bromo-5-methylidene-3,4-dihydro-2H-1,4-benzoxazepine
PubChem CID144504371
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name7-bromo-5-methylidene-3,4-dihydro-2H-1,4-benzoxazepine
SMILESC=C1NCCOc2ccc(Br)cc21
InChIInChI=1S/C10H10BrNO/c1-7-9-6-8(11)2-3-10(9)13-5-4-12-7/h2-3,6,12H,1,4-5H2
InChIKeyVWOKVDFLRSQFQE-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
CID 56965755
7-bromo-3,4-dihydro-2H-5,1λ6,2-benzoxathiazepine 1,1-dioxide
CID 68868465
9-bromo-4,5-dihydro-2H-[1]benzoxepino[5,4-c]pyrazole-3-carboxamide
CID 82252608
7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one
CID 83853391
(7-bromo-2,3-dihydro-1,4-benzoxazepin-5-yl)hydrazine
CID 71150596
7-(1-bromo-2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104526654
3-amino-6-bromo-2,3-dihydrochromen-4-one
CID 71390958
7-bromo-3,4-dihydro-2H-5,1λ4,2-benzoxathiazepine 1-oxide
CID 166137935
10-bromo-2-(1H-imidazol-2-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
CID 58204942
7-nitroso-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 118281440
11,12,24-tribromo-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9,11,13,23,25-hexaene
CID 6420336
7-(5-oxo-3,4-dihydro-2H-1,4-benzoxazepin-8-yl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 167925012

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methylidene-3,4-dihydro-2H-1,4-benzoxazepine?
The IUPAC name of 7-bromo-5-methylidene-3,4-dihydro-2H-1,4-benzoxazepine (CID 144504371) is 7-bromo-5-methylidene-3,4-dihydro-2H-1,4-benzoxazepine.
What is the SMILES notation for 7-bromo-5-methylidene-3,4-dihydro-2H-1,4-benzoxazepine?
The canonical SMILES for 7-bromo-5-methylidene-3,4-dihydro-2H-1,4-benzoxazepine is C=C1NCCOc2ccc(Br)cc21.
What is the InChIKey of 7-bromo-5-methylidene-3,4-dihydro-2H-1,4-benzoxazepine?
The InChIKey is VWOKVDFLRSQFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-7-9-6-8(11)2-3-10(9)13-5-4-12-7/h2-3,6,12H,1,4-5H2.
What are the key properties of 7-bromo-5-methylidene-3,4-dihydro-2H-1,4-benzoxazepine?
7-bromo-5-methylidene-3,4-dihydro-2H-1,4-benzoxazepine has a molecular weight of 240.10 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methylidene-3,4-dihydro-2H-1,4-benzoxazepine is sourced from PubChem (CID 144504371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).